Name: 1-acetylimidazole
SMILES:
CC(=O)n1ccnc1Molecular Processing
Molecular formula
C5H6N2O
Molecular weight
110.12
Exact mass
110.048
XLogP
0.54
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
28.53
Supplementary Information
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